ethyl (3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetate
TL;DR: ethyl (3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetate (CAS 899367-77-2) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetate
Also Known As: ethyl (3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetate, ethyl 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetate, ethyl 2-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-1-yl)acetate, Ethyl 2-(3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetate, A4017/0171321
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 1.6215 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 473.05908 |
Chemical Identifiers
| CAS Number | 899367-77-2 |
|---|---|
| SMILES | CCOC(=O)CN1C2=CC=CC=C2CN(C1=O)C |
Product Overview
ethyl (3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetate (CAS 899367-77-2), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: ethyl 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetate.
Chemical Property Profile of ethyl (3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetate
Property Insights of ethyl (3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetate
The XLogP value of 1.6215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetate. With a topological polar surface area (TPSA) of 49.85 Ų, ethyl (3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl (3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetate?
The CAS number of ethyl (3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetate is 899367-77-2.
What is the molecular formula of ethyl (3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetate?
The molecular formula of ethyl (3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetate is C13H16N2O3.
What is the molecular weight of ethyl (3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetate?
The molecular weight of ethyl (3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetate is 248.12 g/mol.
Where can I buy ethyl (3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetate?
You can request a quote for ethyl (3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.